N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide

C22H24FN3O2 — CID 54513941

IUPACN-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide
SMILESCOC1CC(Cc2ccc(F)cc2)CCN1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H24FN3O2/c1-28-21-13-16(12-15-2-5-19(23)6-3-15)9-11-26(21)25-22(27)18-4-7-20-17(14-18)8-10-24-20/h2-8,10,14,16,21,24H,9,11-13H2,1H3,(H,25,27)
InChIKeyYLBSNQMBTTUPON-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.88
Rot. Bonds5

About N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide

N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide (PubChem CID 54513941) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide
PubChem CID54513941
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide
SMILESCOC1CC(Cc2ccc(F)cc2)CCN1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H24FN3O2/c1-28-21-13-16(12-15-2-5-19(23)6-3-15)9-11-26(21)25-22(27)18-4-7-20-17(14-18)8-10-24-20/h2-8,10,14,16,21,24H,9,11-13H2,1H3,(H,25,27)
InChIKeyYLBSNQMBTTUPON-UHFFFAOYSA-N
XLogP3.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-(2-methoxycyclopentyl)-1H-indole-5-carboxamide
CID 55236061
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 95207398
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(4-fluoro-2-iodophenyl)-1H-indole-5-carboxamide
CID 79766806
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide
CID 71862139

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide (CID 54513941) is N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide is COC1CC(Cc2ccc(F)cc2)CCN1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide?
The InChIKey is YLBSNQMBTTUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-28-21-13-16(12-15-2-5-19(23)6-3-15)9-11-26(21)25-22(27)18-4-7-20-17(14-18)8-10-24-20/h2-8,10,14,16,21,24H,9,11-13H2,1H3,(H,25,27).
What are the key properties of N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide?
N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 54513941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).